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7 #ifndef BALL_MOLMEC_COMMON_SNAPSHOTMANAGER_H
8 #define BALL_MOLMEC_COMMON_SNAPSHOTMANAGER_H
10 #ifndef BALL_MOLMEC_COMMON_SNAPSHOT_H
14 #ifndef BALL_DATATYPE_OPTIONS_H
18 #ifndef BALL_SYSTEM_FILE_H
125 virtual bool setup();
137 virtual void clear();
145 virtual bool isValid()
const;
155 void setSystem(
System* my_system);
158 System* getSystem()
const;
176 void setFlushToDiskFrequency(
Size number);
181 Size getFlushToDiskFrequency()
const;
189 virtual void takeSnapShot();
197 virtual bool applySnapShot(
Size number);
203 virtual bool applyFirstSnapShot();
210 virtual bool applyNextSnapShot();
217 virtual bool applyLastSnapShot();
221 virtual void flushToDisk();
279 double calculateKineticEnergy_();
286 #endif // BALL_MOLMEC_COMMON_SNAPSHOTMANAGER_H
Options options
The available options for this class.
Position getCurrentSnapshotNumber() const
Local class for handling default values for the options.
Size getNumberOfSnapShotsInBuffer()
Local class for handling options.
static const char * FLUSH_TO_DISK_FREQUENCY
static const Size FLUSH_TO_DISK_FREQUENCY
const ForceField * force_field_ptr_
TrajectoryFile * trajectory_file_ptr_
Size flush_to_disk_frequency_
Position current_snapshot_
vector< SnapShot > snapshot_buffer_
#define BALL_CREATE(name)